(3R)-3-hydroxy-5-[[(3S)-2-methyl-4-oxopentan-3-yl]amino]-5-oxo-3-propan-2-yloxycarbonylpentanoic acid

C15H25NO7 — CID 59571321

IUPAC(3R)-3-hydroxy-5-[[(3S)-2-methyl-4-oxopentan-3-yl]amino]-5-oxo-3-propan-2-yloxycarbonylpentanoic acid
SMILESCC(=O)[C@@H](NC(=O)C[C@@](O)(CC(=O)O)C(=O)OC(C)C)C(C)C
InChIInChI=1S/C15H25NO7/c1-8(2)13(10(5)17)16-11(18)6-15(22,7-12(19)20)14(21)23-9(3)4/h8-9,13,22H,6-7H2,1-5H3,(H,16,18)(H,19,20)/t13-,15+/m0/s1
InChIKeyRCAYQYWWBCWUOB-DZGCQCFKSA-N
MW331.37 g/mol
LogP0.26
Rot. Bonds9

About (3R)-3-hydroxy-5-[[(3S)-2-methyl-4-oxopentan-3-yl]amino]-5-oxo-3-propan-2-yloxycarbonylpentanoic acid

(3R)-3-hydroxy-5-[[(3S)-2-methyl-4-oxopentan-3-yl]amino]-5-oxo-3-propan-2-yloxycarbonylpentanoic acid (PubChem CID 59571321) has the molecular formula C15H25NO7 and a molecular weight of 331.37 g/mol. Its IUPAC name is (3R)-3-hydroxy-5-[[(3S)-2-methyl-4-oxopentan-3-yl]amino]-5-oxo-3-propan-2-yloxycarbonylpentanoic acid.

Molecular Properties

Compound Name(3R)-3-hydroxy-5-[[(3S)-2-methyl-4-oxopentan-3-yl]amino]-5-oxo-3-propan-2-yloxycarbonylpentanoic acid
PubChem CID59571321
Molecular FormulaC15H25NO7
Molecular Weight331.37 g/mol
Exact Mass331.16
IUPAC Name(3R)-3-hydroxy-5-[[(3S)-2-methyl-4-oxopentan-3-yl]amino]-5-oxo-3-propan-2-yloxycarbonylpentanoic acid
SMILESCC(=O)[C@@H](NC(=O)C[C@@](O)(CC(=O)O)C(=O)OC(C)C)C(C)C
InChIInChI=1S/C15H25NO7/c1-8(2)13(10(5)17)16-11(18)6-15(22,7-12(19)20)14(21)23-9(3)4/h8-9,13,22H,6-7H2,1-5H3,(H,16,18)(H,19,20)/t13-,15+/m0/s1
InChIKeyRCAYQYWWBCWUOB-DZGCQCFKSA-N
XLogP0.26
TPSA130.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (3R)-3-hydroxy-5-[[(3S)-2-methyl-4-oxopentan-3-yl]amino]-5-oxo-3-propan-2-yloxycarbonylpentanoic acid with MolForge

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Launch Full Analysis

Related Compounds

propan-2-yl 2,2-dimethyl-5-[(2-methyl-4-oxopentan-3-yl)amino]-5-oxopentanoate
CID 59571302
3,3-dimethyl-N-[(3R)-2-methyl-4-oxopentan-3-yl]butanamide
CID 142180452
(2R)-2-acetamido-3-[2-[(2-methyl-4-oxopentan-3-yl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 107774278
propan-2-yl (E)-2,3-dimethyl-4-[(2-methyl-4-oxopentan-3-yl)amino]-4-oxobut-2-enoate;sulfane
CID 159952671
propan-2-yl (E)-4-[(2-methyl-4-oxopentan-3-yl)amino]-4-oxobut-2-enoate
CID 59571311
3-[(2-acetamido-3-methylbutanoyl)amino]-3-methylbutanoic acid
CID 64672861
2-[3,3-dimethylbutan-2-yl(methyl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 55010254
2-(3-methylbutoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 43793356
N-(2-methyl-4-oxopentan-3-yl)-2-propan-2-ylsulfonylacetamide
CID 64637702
2-[(2-carboxyacetyl)amino]-3-methylbutanoic acid
CID 62232475
N-[(3S)-2-methyl-4-oxopentan-3-yl]decanamide
CID 158440925
3-[cyclopropyl-[2-[(2-methyl-4-oxopentan-3-yl)amino]-2-oxoethyl]amino]propanoic acid
CID 60839716

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-5-[[(3S)-2-methyl-4-oxopentan-3-yl]amino]-5-oxo-3-propan-2-yloxycarbonylpentanoic acid?
The IUPAC name of (3R)-3-hydroxy-5-[[(3S)-2-methyl-4-oxopentan-3-yl]amino]-5-oxo-3-propan-2-yloxycarbonylpentanoic acid (CID 59571321) is (3R)-3-hydroxy-5-[[(3S)-2-methyl-4-oxopentan-3-yl]amino]-5-oxo-3-propan-2-yloxycarbonylpentanoic acid.
What is the SMILES notation for (3R)-3-hydroxy-5-[[(3S)-2-methyl-4-oxopentan-3-yl]amino]-5-oxo-3-propan-2-yloxycarbonylpentanoic acid?
The canonical SMILES for (3R)-3-hydroxy-5-[[(3S)-2-methyl-4-oxopentan-3-yl]amino]-5-oxo-3-propan-2-yloxycarbonylpentanoic acid is CC(=O)[C@@H](NC(=O)C[C@@](O)(CC(=O)O)C(=O)OC(C)C)C(C)C.
What is the InChIKey of (3R)-3-hydroxy-5-[[(3S)-2-methyl-4-oxopentan-3-yl]amino]-5-oxo-3-propan-2-yloxycarbonylpentanoic acid?
The InChIKey is RCAYQYWWBCWUOB-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H25NO7/c1-8(2)13(10(5)17)16-11(18)6-15(22,7-12(19)20)14(21)23-9(3)4/h8-9,13,22H,6-7H2,1-5H3,(H,16,18)(H,19,20)/t13-,15+/m0/s1.
What are the key properties of (3R)-3-hydroxy-5-[[(3S)-2-methyl-4-oxopentan-3-yl]amino]-5-oxo-3-propan-2-yloxycarbonylpentanoic acid?
(3R)-3-hydroxy-5-[[(3S)-2-methyl-4-oxopentan-3-yl]amino]-5-oxo-3-propan-2-yloxycarbonylpentanoic acid has a molecular weight of 331.37 g/mol, XLogP of 0.26, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-5-[[(3S)-2-methyl-4-oxopentan-3-yl]amino]-5-oxo-3-propan-2-yloxycarbonylpentanoic acid is sourced from PubChem (CID 59571321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).